N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide

C23H23N3O2 — CID 54813402

IUPACN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-17(2)13-21(12-16)24-15-22(27)25-19-9-6-10-20(14-19)26-23(28)18-7-4-3-5-8-18/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYVTNLEAUSSNURM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.61
Rot. Bonds6

About N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54813402) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
PubChem CID54813402
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-17(2)13-21(12-16)24-15-22(27)25-19-9-6-10-20(14-19)26-23(28)18-7-4-3-5-8-18/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYVTNLEAUSSNURM-UHFFFAOYSA-N
XLogP4.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide (CID 54813402) is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide is Cc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is YVTNLEAUSSNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-11-17(2)13-21(12-16)24-15-22(27)25-19-9-6-10-20(14-19)26-23(28)18-7-4-3-5-8-18/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54813402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).